5-(cyclopentylmethyl)-3-methyl-4-(2-methylphenyl)quinazolin-3-ium;6-(cyclopentylmethyl)-3-methyl-4-(2-methylphenyl)quinazolin-3-ium;8-(cyclopentylmethyl)-3-methyl-4-(2-methylphenyl)quinazolin-3-ium;4-[5-(cyclopentylmethyl)-2-methylphenyl]-3-methylquinazolin-3-ium;3-methyl-4-(2-methylphenyl)-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium

C109H122F3N10+5 — CID 158928398

About 5-(cyclopentylmethyl)-3-methyl-4-(2-methylphenyl)quinazolin-3-ium;6-(cyclopentylmethyl)-3-methyl-4-(2-methylphenyl)quinazolin-3-ium;8-(cyclopentylmethyl)-3-methyl-4-(2-methylphenyl)quinazolin-3-ium;4-[5-(cyclopentylmethyl)-2-methylphenyl]-3-methylquinazolin-3-ium;3-methyl-4-(2-methylphenyl)-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium

5-(cyclopentylmethyl)-3-methyl-4-(2-methylphenyl)quinazolin-3-ium;6-(cyclopentylmethyl)-3-methyl-4-(2-methylphenyl)quinazolin-3-ium;8-(cyclopentylmethyl)-3-methyl-4-(2-methylphenyl)quinazolin-3-ium;4-[5-(cyclopentylmethyl)-2-methylphenyl]-3-methylquinazolin-3-ium;3-methyl-4-(2-methylphenyl)-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium (PubChem CID 158928398) has the molecular formula C109H122F3N10+5 and a molecular weight of 1629.24 g/mol. Its IUPAC name is 5-(cyclopentylmethyl)-3-methyl-4-(2-methylphenyl)quinazolin-3-ium;6-(cyclopentylmethyl)-3-methyl-4-(2-methylphenyl)quinazolin-3-ium;8-(cyclopentylmethyl)-3-methyl-4-(2-methylphenyl)quinazolin-3-ium;4-[5-(cyclopentylmethyl)-2-methylphenyl]-3-methylquinazolin-3-ium;3-methyl-4-(2-methylphenyl)-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium.

Molecular Properties

• Compound Name: 5-(cyclopentylmethyl)-3-methyl-4-(2-methylphenyl)quinazolin-3-ium;6-(cyclopentylmethyl)-3-methyl-4-(2-methylphenyl)quinazolin-3-ium;8-(cyclopentylmethyl)-3-methyl-4-(2-methylphenyl)quinazolin-3-ium;4-[5-(cyclopentylmethyl)-2-methylphenyl]-3-methylquinazolin-3-ium;3-methyl-4-(2-methylphenyl)-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium
• PubChem CID: 158928398
• Molecular Formula: C109H122F3N10+5
• Molecular Weight: 1629.24 g/mol
• Exact Mass: 1627.98
• IUPAC Name: 5-(cyclopentylmethyl)-3-methyl-4-(2-methylphenyl)quinazolin-3-ium;6-(cyclopentylmethyl)-3-methyl-4-(2-methylphenyl)quinazolin-3-ium;8-(cyclopentylmethyl)-3-methyl-4-(2-methylphenyl)quinazolin-3-ium;4-[5-(cyclopentylmethyl)-2-methylphenyl]-3-methylquinazolin-3-ium;3-methyl-4-(2-methylphenyl)-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium
• SMILES: Cc1ccc(CC2CCCC2)cc1-c1c2ccccc2nc[n+]1C.Cc1ccccc1-c1c2c(CC3CCCC3)cccc2nc[n+]1C.Cc1ccccc1-c1c2cc(CC3CCCC3)ccc2nc[n+]1C.Cc1ccccc1-c1c2ccc(CC(C)(C)C(F)(F)F)cc2nc[n+]1C.Cc1ccccc1-c1c2cccc(CC3CCCC3)c2nc[n+]1C
• InChI: InChI=1S/4C22H25N2.C21H22F3N2/c1-16-8-3-6-12-19(16)22-21-18(14-17-9-4-5-10-17)11-7-13-20(21)23-15-24(22)2;1-16-8-3-6-12-19(16)22-20-13-7-11-18(14-17-9-4-5-10-17)21(20)23-15-24(22)2;1-16-7-3-6-10-19(16)22-20-14-18(13-17-8-4-5-9-17)11-12-21(20)23-15-24(22)2;1-16-11-12-18(13-17-7-3-4-8-17)14-20(16)22-19-9-5-6-10-21(19)23-15-24(22)2;1-14-7-5-6-8-16(14)19-17-10-9-15(11-18(17)25-13-26(19)4)12-20(2,3)21(22,23)24/h2*3,6-8,11-13,15,17H,4-5,9-10,14H2,1-2H3;3,6-7,10-12,14-15,17H,4-5,8-9,13H2,1-2H3;5-6,9-12,14-15,17H,3-4,7-8,13H2,1-2H3;5-11,13H,12H2,1-4H3/q5*+1
• InChIKey: YZADBNJFMJYKCE-UHFFFAOYSA-N
• XLogP: 24.24
• TPSA: 83.85 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 15
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1629.24
LogP ≤ 5	24.24
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylmethyl)-3-methyl-4-(2-methylphenyl)quinazolin-3-ium;6-(cyclopentylmethyl)-3-methyl-4-(2-methylphenyl)quinazolin-3-ium;8-(cyclopentylmethyl)-3-methyl-4-(2-methylphenyl)quinazolin-3-ium;4-[5-(cyclopentylmethyl)-2-methylphenyl]-3-methylquinazolin-3-ium;3-methyl-4-(2-methylphenyl)-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium?

The IUPAC name of 5-(cyclopentylmethyl)-3-methyl-4-(2-methylphenyl)quinazolin-3-ium;6-(cyclopentylmethyl)-3-methyl-4-(2-methylphenyl)quinazolin-3-ium;8-(cyclopentylmethyl)-3-methyl-4-(2-methylphenyl)quinazolin-3-ium;4-[5-(cyclopentylmethyl)-2-methylphenyl]-3-methylquinazolin-3-ium;3-methyl-4-(2-methylphenyl)-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium (CID 158928398) is 5-(cyclopentylmethyl)-3-methyl-4-(2-methylphenyl)quinazolin-3-ium;6-(cyclopentylmethyl)-3-methyl-4-(2-methylphenyl)quinazolin-3-ium;8-(cyclopentylmethyl)-3-methyl-4-(2-methylphenyl)quinazolin-3-ium;4-[5-(cyclopentylmethyl)-2-methylphenyl]-3-methylquinazolin-3-ium;3-methyl-4-(2-methylphenyl)-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium.

What is the SMILES notation for 5-(cyclopentylmethyl)-3-methyl-4-(2-methylphenyl)quinazolin-3-ium;6-(cyclopentylmethyl)-3-methyl-4-(2-methylphenyl)quinazolin-3-ium;8-(cyclopentylmethyl)-3-methyl-4-(2-methylphenyl)quinazolin-3-ium;4-[5-(cyclopentylmethyl)-2-methylphenyl]-3-methylquinazolin-3-ium;3-methyl-4-(2-methylphenyl)-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium?

The canonical SMILES for 5-(cyclopentylmethyl)-3-methyl-4-(2-methylphenyl)quinazolin-3-ium;6-(cyclopentylmethyl)-3-methyl-4-(2-methylphenyl)quinazolin-3-ium;8-(cyclopentylmethyl)-3-methyl-4-(2-methylphenyl)quinazolin-3-ium;4-[5-(cyclopentylmethyl)-2-methylphenyl]-3-methylquinazolin-3-ium;3-methyl-4-(2-methylphenyl)-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium is Cc1ccc(CC2CCCC2)cc1-c1c2ccccc2nc[n+]1C.Cc1ccccc1-c1c2c(CC3CCCC3)cccc2nc[n+]1C.Cc1ccccc1-c1c2cc(CC3CCCC3)ccc2nc[n+]1C.Cc1ccccc1-c1c2ccc(CC(C)(C)C(F)(F)F)cc2nc[n+]1C.Cc1ccccc1-c1c2cccc(CC3CCCC3)c2nc[n+]1C.

What is the InChIKey of 5-(cyclopentylmethyl)-3-methyl-4-(2-methylphenyl)quinazolin-3-ium;6-(cyclopentylmethyl)-3-methyl-4-(2-methylphenyl)quinazolin-3-ium;8-(cyclopentylmethyl)-3-methyl-4-(2-methylphenyl)quinazolin-3-ium;4-[5-(cyclopentylmethyl)-2-methylphenyl]-3-methylquinazolin-3-ium;3-methyl-4-(2-methylphenyl)-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium?

The InChIKey is YZADBNJFMJYKCE-UHFFFAOYSA-N. The full InChI is InChI=1S/4C22H25N2.C21H22F3N2/c1-16-8-3-6-12-19(16)22-21-18(14-17-9-4-5-10-17)11-7-13-20(21)23-15-24(22)2;1-16-8-3-6-12-19(16)22-20-13-7-11-18(14-17-9-4-5-10-17)21(20)23-15-24(22)2;1-16-7-3-6-10-19(16)22-20-14-18(13-17-8-4-5-9-17)11-12-21(20)23-15-24(22)2;1-16-11-12-18(13-17-7-3-4-8-17)14-20(16)22-19-9-5-6-10-21(19)23-15-24(22)2;1-14-7-5-6-8-16(14)19-17-10-9-15(11-18(17)25-13-26(19)4)12-20(2,3)21(22,23)24/h2*3,6-8,11-13,15,17H,4-5,9-10,14H2,1-2H3;3,6-7,10-12,14-15,17H,4-5,8-9,13H2,1-2H3;5-6,9-12,14-15,17H,3-4,7-8,13H2,1-2H3;5-11,13H,12H2,1-4H3/q5*+1.

What are the key properties of 5-(cyclopentylmethyl)-3-methyl-4-(2-methylphenyl)quinazolin-3-ium;6-(cyclopentylmethyl)-3-methyl-4-(2-methylphenyl)quinazolin-3-ium;8-(cyclopentylmethyl)-3-methyl-4-(2-methylphenyl)quinazolin-3-ium;4-[5-(cyclopentylmethyl)-2-methylphenyl]-3-methylquinazolin-3-ium;3-methyl-4-(2-methylphenyl)-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium?

5-(cyclopentylmethyl)-3-methyl-4-(2-methylphenyl)quinazolin-3-ium;6-(cyclopentylmethyl)-3-methyl-4-(2-methylphenyl)quinazolin-3-ium;8-(cyclopentylmethyl)-3-methyl-4-(2-methylphenyl)quinazolin-3-ium;4-[5-(cyclopentylmethyl)-2-methylphenyl]-3-methylquinazolin-3-ium;3-methyl-4-(2-methylphenyl)-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium has a molecular weight of 1629.24 g/mol, XLogP of 24.24, 15 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(cyclopentylmethyl)-3-methyl-4-(2-methylphenyl)quinazolin-3-ium;6-(cyclopentylmethyl)-3-methyl-4-(2-methylphenyl)quinazolin-3-ium;8-(cyclopentylmethyl)-3-methyl-4-(2-methylphenyl)quinazolin-3-ium;4-[5-(cyclopentylmethyl)-2-methylphenyl]-3-methylquinazolin-3-ium;3-methyl-4-(2-methylphenyl)-7-(3,3,3-trifluoro-2,2-dimethylpropyl)quinazolin-3-ium is sourced from PubChem (CID 158928398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).